[2-[2-[(2-fluoro-3-pyridinyl)methoxy]-5-methoxyphenyl]cyclopropyl]carbamic acid

C17H17FN2O4 — CID 154963541

IUPAC[2-[2-[(2-fluoro-3-pyridinyl)methoxy]-5-methoxyphenyl]cyclopropyl]carbamic acid
SMILESCOc1ccc(OCc2cccnc2F)c(C2CC2NC(=O)O)c1
InChIInChI=1S/C17H17FN2O4/c1-23-11-4-5-15(24-9-10-3-2-6-19-16(10)18)13(7-11)12-8-14(12)20-17(21)22/h2-7,12,14,20H,8-9H2,1H3,(H,21,22)
InChIKeyVEVQTZWPNPAOAH-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.93
Rot. Bonds6

About [2-[2-[(2-fluoro-3-pyridinyl)methoxy]-5-methoxyphenyl]cyclopropyl]carbamic acid

[2-[2-[(2-fluoro-3-pyridinyl)methoxy]-5-methoxyphenyl]cyclopropyl]carbamic acid (PubChem CID 154963541) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is [2-[2-[(2-fluoro-3-pyridinyl)methoxy]-5-methoxyphenyl]cyclopropyl]carbamic acid.

Molecular Properties

Compound Name[2-[2-[(2-fluoro-3-pyridinyl)methoxy]-5-methoxyphenyl]cyclopropyl]carbamic acid
PubChem CID154963541
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name[2-[2-[(2-fluoro-3-pyridinyl)methoxy]-5-methoxyphenyl]cyclopropyl]carbamic acid
SMILESCOc1ccc(OCc2cccnc2F)c(C2CC2NC(=O)O)c1
InChIInChI=1S/C17H17FN2O4/c1-23-11-4-5-15(24-9-10-3-2-6-19-16(10)18)13(7-11)12-8-14(12)20-17(21)22/h2-7,12,14,20H,8-9H2,1H3,(H,21,22)
InChIKeyVEVQTZWPNPAOAH-UHFFFAOYSA-N
XLogP2.93
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[2-fluoro-6-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]carbamate
CID 154972473
[4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamic acid
CID 134347497
4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 63938447
1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone
CID 33079900
4-(5-methoxy-2-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid
CID 171115881
4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
CID 115981695
1-(1,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[3,5-difluoro-2-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]amino]ethanone
CID 154972366
2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methyliminoacetic acid
CID 170602524
methyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate
CID 53113065
N-[2-(7-methoxynaphthalen-1-yl)cyclopropyl]cyclopropanecarboxamide
CID 10221363
2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid
CID 114345678
2-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
CID 114037696

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(2-fluoro-3-pyridinyl)methoxy]-5-methoxyphenyl]cyclopropyl]carbamic acid?
The IUPAC name of [2-[2-[(2-fluoro-3-pyridinyl)methoxy]-5-methoxyphenyl]cyclopropyl]carbamic acid (CID 154963541) is [2-[2-[(2-fluoro-3-pyridinyl)methoxy]-5-methoxyphenyl]cyclopropyl]carbamic acid.
What is the SMILES notation for [2-[2-[(2-fluoro-3-pyridinyl)methoxy]-5-methoxyphenyl]cyclopropyl]carbamic acid?
The canonical SMILES for [2-[2-[(2-fluoro-3-pyridinyl)methoxy]-5-methoxyphenyl]cyclopropyl]carbamic acid is COc1ccc(OCc2cccnc2F)c(C2CC2NC(=O)O)c1.
What is the InChIKey of [2-[2-[(2-fluoro-3-pyridinyl)methoxy]-5-methoxyphenyl]cyclopropyl]carbamic acid?
The InChIKey is VEVQTZWPNPAOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-23-11-4-5-15(24-9-10-3-2-6-19-16(10)18)13(7-11)12-8-14(12)20-17(21)22/h2-7,12,14,20H,8-9H2,1H3,(H,21,22).
What are the key properties of [2-[2-[(2-fluoro-3-pyridinyl)methoxy]-5-methoxyphenyl]cyclopropyl]carbamic acid?
[2-[2-[(2-fluoro-3-pyridinyl)methoxy]-5-methoxyphenyl]cyclopropyl]carbamic acid has a molecular weight of 332.33 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(2-fluoro-3-pyridinyl)methoxy]-5-methoxyphenyl]cyclopropyl]carbamic acid is sourced from PubChem (CID 154963541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).